methyl 11-oxo-10-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 11-oxo-10-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 11-oxo-10-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0201 |
| Compound Name: | methyl 11-oxo-10-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C24 H17 N3 O4 S |
| Smiles: | COC(c1ccc2c(c1)N(CC1=CC(N3C=CC=CC3=N1)=O)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5866 |
| logD: | 3.5866 |
| logSw: | -3.9241 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.561 |
| InChI Key: | RTDJYCIDJGCCQQ-UHFFFAOYSA-N |